N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide

C24H18F2N4O — CID 56597103

IUPACN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4cccc(F)c4)cn3)cc2F)ccn1
InChIInChI=1S/C24H18F2N4O/c1-15-9-18(7-8-27-15)23-21(26)10-16(12-29-23)13-30-24(31)22-6-5-19(14-28-22)17-3-2-4-20(25)11-17/h2-12,14H,13H2,1H3,(H,30,31)
InChIKeyUSBWNNVUENLHKK-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.72
Rot. Bonds5

About N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide (PubChem CID 56597103) has the molecular formula C24H18F2N4O and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide
PubChem CID56597103
Molecular FormulaC24H18F2N4O
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4cccc(F)c4)cn3)cc2F)ccn1
InChIInChI=1S/C24H18F2N4O/c1-15-9-18(7-8-27-15)23-21(26)10-16(12-29-23)13-30-24(31)22-6-5-19(14-28-22)17-3-2-4-20(25)11-17/h2-12,14H,13H2,1H3,(H,30,31)
InChIKeyUSBWNNVUENLHKK-UHFFFAOYSA-N
XLogP4.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide (CID 56597103) is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cccc(F)c4)cn3)cc2F)ccn1.
What is the InChIKey of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is USBWNNVUENLHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O/c1-15-9-18(7-8-27-15)23-21(26)10-16(12-29-23)13-30-24(31)22-6-5-19(14-28-22)17-3-2-4-20(25)11-17/h2-12,14H,13H2,1H3,(H,30,31).
What are the key properties of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide?
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 56597103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).